(1R)-1-[(1R,3S,6R,7R,8R)-7-tricyclo[4.3.1.03,8]decanyl]ethanamine

C12H21N — CID 99948578

IUPAC(1R)-1-[(1R,3S,6R,7R,8R)-7-tricyclo[4.3.1.03,8]decanyl]ethanamine
SMILESC[C@@H](N)[C@@H]1[C@@H]2CC[C@H]3C[C@H](C2)C[C@H]31
InChIInChI=1S/C12H21N/c1-7(13)12-10-3-2-9-4-8(5-10)6-11(9)12/h7-12H,2-6,13H2,1H3/t7-,8-,9+,10-,11-,12-/m1/s1
InChIKeyCRBXGHPKJQFTOK-KCUSNBPKSA-N
MW179.31 g/mol
LogP2.41
Rot. Bonds1

About (1R)-1-[(1R,3S,6R,7R,8R)-7-tricyclo[4.3.1.03,8]decanyl]ethanamine

(1R)-1-[(1R,3S,6R,7R,8R)-7-tricyclo[4.3.1.03,8]decanyl]ethanamine (PubChem CID 99948578) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is (1R)-1-[(1R,3S,6R,7R,8R)-7-tricyclo[4.3.1.03,8]decanyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[(1R,3S,6R,7R,8R)-7-tricyclo[4.3.1.03,8]decanyl]ethanamine
PubChem CID99948578
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name(1R)-1-[(1R,3S,6R,7R,8R)-7-tricyclo[4.3.1.03,8]decanyl]ethanamine
SMILESC[C@@H](N)[C@@H]1[C@@H]2CC[C@H]3C[C@H](C2)C[C@H]31
InChIInChI=1S/C12H21N/c1-7(13)12-10-3-2-9-4-8(5-10)6-11(9)12/h7-12H,2-6,13H2,1H3/t7-,8-,9+,10-,11-,12-/m1/s1
InChIKeyCRBXGHPKJQFTOK-KCUSNBPKSA-N
XLogP2.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R)-1-[(1R,3S,6R,7R,8R)-7-tricyclo[4.3.1.03,8]decanyl]ethanamine with MolForge

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Related Compounds

(1S)-1-(2-adamantyl)ethanamine
CID 151459315
propane;tricyclo[4.2.1.03,7]nonane
CID 91449574
1-(2-cyclopropylcyclopropyl)ethanamine
CID 62313265
(1S,2Z,5R)-6,6-dimethyl-2-[1-[[(1S)-1-[(1S,3S,6R,7R,8S)-7-tricyclo[4.3.1.03,8]decanyl]ethyl]amino]ethylidene]bicyclo[3.1.0]hexan-3-one
CID 98135780
5-bromo-6-oxo-N-[(1S)-1-[(1S,3R,6S,7R,8R)-7-tricyclo[4.3.1.03,8]decanyl]ethyl]pyran-3-carboxamide
CID 124836386
(2S)-bicyclo[2.2.1]heptan-2-amine;platinum(2+);propan-2-amine;dichloride
CID 56600530
(1R,2S,3S,4S)-3-propan-2-ylbicyclo[2.2.1]heptan-2-amine
CID 167142264
2-(1-iodoethyl)adamantane
CID 23001063
trans-(1R,3S)-3-(2-bicyclo[2.2.1]heptanyl)-2,2-dimethylcyclopropan-1-amine
CID 178199728
4-methyl-2-propan-2-yltricyclo[6.1.0.03,5]nonane
CID 91310355
[2-(2-bicyclo[2.2.1]heptanyl)-4-propan-2-ylcyclohexyl]methanamine
CID 114247002
methyl 3-oxo-5-[(1R)-1-[(1S,3R,6S,7S,8R)-7-tricyclo[4.3.1.03,8]decanyl]ethyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 126418993

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(1R,3S,6R,7R,8R)-7-tricyclo[4.3.1.03,8]decanyl]ethanamine?
The IUPAC name of (1R)-1-[(1R,3S,6R,7R,8R)-7-tricyclo[4.3.1.03,8]decanyl]ethanamine (CID 99948578) is (1R)-1-[(1R,3S,6R,7R,8R)-7-tricyclo[4.3.1.03,8]decanyl]ethanamine.
What is the SMILES notation for (1R)-1-[(1R,3S,6R,7R,8R)-7-tricyclo[4.3.1.03,8]decanyl]ethanamine?
The canonical SMILES for (1R)-1-[(1R,3S,6R,7R,8R)-7-tricyclo[4.3.1.03,8]decanyl]ethanamine is C[C@@H](N)[C@@H]1[C@@H]2CC[C@H]3C[C@H](C2)C[C@H]31.
What is the InChIKey of (1R)-1-[(1R,3S,6R,7R,8R)-7-tricyclo[4.3.1.03,8]decanyl]ethanamine?
The InChIKey is CRBXGHPKJQFTOK-KCUSNBPKSA-N. The full InChI is InChI=1S/C12H21N/c1-7(13)12-10-3-2-9-4-8(5-10)6-11(9)12/h7-12H,2-6,13H2,1H3/t7-,8-,9+,10-,11-,12-/m1/s1.
What are the key properties of (1R)-1-[(1R,3S,6R,7R,8R)-7-tricyclo[4.3.1.03,8]decanyl]ethanamine?
(1R)-1-[(1R,3S,6R,7R,8R)-7-tricyclo[4.3.1.03,8]decanyl]ethanamine has a molecular weight of 179.31 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(1R,3S,6R,7R,8R)-7-tricyclo[4.3.1.03,8]decanyl]ethanamine is sourced from PubChem (CID 99948578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).